2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide

C21H27N3O4 — CID 18087125

IUPAC2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)NCc2ccco2)C2CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-23(14-20(25)22-12-19-4-3-11-28-19)15-21(26)24(17-7-8-17)13-16-5-9-18(27-2)10-6-16/h3-6,9-11,17H,7-8,12-15H2,1-2H3,(H,22,25)
InChIKeyQGTHVOODEBOUSR-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.03
Rot. Bonds10

About 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide

2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18087125) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID18087125
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(C(=O)CN(C)CC(=O)NCc2ccco2)C2CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-23(14-20(25)22-12-19-4-3-11-28-19)15-21(26)24(17-7-8-17)13-16-5-9-18(27-2)10-6-16/h3-6,9-11,17H,7-8,12-15H2,1-2H3,(H,22,25)
InChIKeyQGTHVOODEBOUSR-UHFFFAOYSA-N
XLogP2.03
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8768593
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
N-(4-chlorophenyl)-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816106
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622472
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219
N-(furan-2-ylmethyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 113230347

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 18087125) is 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide is COc1ccc(CN(C(=O)CN(C)CC(=O)NCc2ccco2)C2CC2)cc1.
What is the InChIKey of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QGTHVOODEBOUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-23(14-20(25)22-12-19-4-3-11-28-19)15-21(26)24(17-7-8-17)13-16-5-9-18(27-2)10-6-16/h3-6,9-11,17H,7-8,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide?
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18087125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).